Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease
Article first published online: 23 AUG 2012
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 33, Issue 32, pages 2566–2580, 15 December 2012
How to Cite
Oehme, D. P., Brownlee, R. T. C. and Wilson, D. J. D. (2012), Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease. J. Comput. Chem., 33: 2566–2580. doi: 10.1002/jcc.23095
- Issue published online: 15 NOV 2012
- Article first published online: 23 AUG 2012
- Manuscript Accepted: 25 JUL 2012
- Manuscript Revised: 27 JUN 2012
- Manuscript Received: 15 FEB 2012
- National Computational Infrastructure National Facility (NCI-NF), Victorian Partnership for Advanced Computing (VPAC), Victorian Life Science Computing Initiative (VLSCI), High-Performance Computing Facility of La Trobe University, La Trobe University e-Research Grant, Australian Postgraduate Award (APA) scholarship
Additional Supporting Information may be found in the online version of this article.
Please note: Wiley Blackwell is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.